Cas no 158890-25-6 (Ethanone,2-chloro-1-(3,3-dimethyl-1-piperidinyl)-)
158890-25-6 structure
Product Name:Ethanone,2-chloro-1-(3,3-dimethyl-1-piperidinyl)-
CAS No:158890-25-6
MF:C9H16ClNO
MW:189.682441711426
CID:109031
PubChem ID:19961781
Update Time:2025-04-18
Ethanone,2-chloro-1-(3,3-dimethyl-1-piperidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-chloro-1-(3,3-dimethyl-1-piperidinyl)-
- 2-chloro-1-(3,3-dimethylpiperidin-1-yl)ethanone
- Piperidine, 1-(chloroacetyl)-3,3-dimethyl- (9CI)
- AKOS013386235
- SCHEMBL8904306
- 158890-25-6
- DTXSID60601496
- 2-Chloro-1-(3,3-dimethylpiperidin-1-yl)ethan-1-one
- DB-277832
- PIPERIDINE, 1-(CHLOROACETYL)-3,3-DIMETHYL-
-
- Inchi： 1S/C9H16ClNO/c1-9(2)4-3-5-11(7-9)8(12)6-10/h3-7H2,1-2H3
- InChI Key： WMHHDBQSHMXHGU-UHFFFAOYSA-N
- SMILES： ClCC(N1CCCC(C)(C)C1)=O
Computed Properties
- Exact Mass: 189.09218
- Monoisotopic Mass: 189.0920418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
Ethanone,2-chloro-1-(3,3-dimethyl-1-piperidinyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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